2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C13H16INO2 — CID 97077481

IUPAC2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(Cc1cccc(I)c1)NC[C@@H]1CCCO1
InChIInChI=1S/C13H16INO2/c14-11-4-1-3-10(7-11)8-13(16)15-9-12-5-2-6-17-12/h1,3-4,7,12H,2,5-6,8-9H2,(H,15,16)/t12-/m0/s1
InChIKeyUUENUNZNULMFHE-LBPRGKRZSA-N
MW345.18 g/mol
LogP2.13
Rot. Bonds4

About 2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 97077481) has the molecular formula C13H16INO2 and a molecular weight of 345.18 g/mol. Its IUPAC name is 2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID97077481
Molecular FormulaC13H16INO2
Molecular Weight345.18 g/mol
Exact Mass345.02
IUPAC Name2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(Cc1cccc(I)c1)NC[C@@H]1CCCO1
InChIInChI=1S/C13H16INO2/c14-11-4-1-3-10(7-11)8-13(16)15-9-12-5-2-6-17-12/h1,3-4,7,12H,2,5-6,8-9H2,(H,15,16)/t12-/m0/s1
InChIKeyUUENUNZNULMFHE-LBPRGKRZSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 19237283
N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520
2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110768911
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993198
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119305123
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 97077481) is 2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(Cc1cccc(I)c1)NC[C@@H]1CCCO1.
What is the InChIKey of 2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is UUENUNZNULMFHE-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16INO2/c14-11-4-1-3-10(7-11)8-13(16)15-9-12-5-2-6-17-12/h1,3-4,7,12H,2,5-6,8-9H2,(H,15,16)/t12-/m0/s1.
What are the key properties of 2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 345.18 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 97077481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).